N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine

C43H38N2O — CID 142352999

IUPACN-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine
SMILESC1=CCCC(c2ccc(N(C3=CC(c4ccccc4)CC=C3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)cc2)=C1.CN
InChIInChI=1S/C42H33NO.CH5N/c1-4-12-30(13-5-1)33-22-25-36(26-23-33)43(37-19-10-18-34(28-37)31-14-6-2-7-15-31)39-20-11-21-41-42(39)38-29-35(24-27-40(38)44-41)32-16-8-3-9-17-32;1-2/h1-4,6-12,14-17,19-29,34H,5,13,18H2;2H2,1H3
InChIKeyHSJNJSVBJKZQAA-UHFFFAOYSA-N
MW598.79 g/mol
LogP11.33
Rot. Bonds6

About N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine

N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine (PubChem CID 142352999) has the molecular formula C43H38N2O and a molecular weight of 598.79 g/mol. Its IUPAC name is N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine.

Molecular Properties

Compound NameN-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine
PubChem CID142352999
Molecular FormulaC43H38N2O
Molecular Weight598.79 g/mol
Exact Mass598.30
IUPAC NameN-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine
SMILESC1=CCCC(c2ccc(N(C3=CC(c4ccccc4)CC=C3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)cc2)=C1.CN
InChIInChI=1S/C42H33NO.CH5N/c1-4-12-30(13-5-1)33-22-25-36(26-23-33)43(37-19-10-18-34(28-37)31-14-6-2-7-15-31)39-20-11-21-41-42(39)38-29-35(24-27-40(38)44-41)32-16-8-3-9-17-32;1-2/h1-4,6-12,14-17,19-29,34H,5,13,18H2;2H2,1H3
InChIKeyHSJNJSVBJKZQAA-UHFFFAOYSA-N
XLogP11.33
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 511.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167397321
5-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170282180
1-[10-(3-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174290733
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
N-dibenzofuran-2-yl-8-(9-phenyl-9H-fluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 171448031
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
8-(8-cyclohexa-1,3-dien-1-yldibenzofuran-2-yl)-16-(8-phenyldibenzofuran-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 163487092
2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine?
The IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine (CID 142352999) is N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine.
What is the SMILES notation for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine?
The canonical SMILES for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine is C1=CCCC(c2ccc(N(C3=CC(c4ccccc4)CC=C3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)cc2)=C1.CN.
What is the InChIKey of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine?
The InChIKey is HSJNJSVBJKZQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33NO.CH5N/c1-4-12-30(13-5-1)33-22-25-36(26-23-33)43(37-19-10-18-34(28-37)31-14-6-2-7-15-31)39-20-11-21-41-42(39)38-29-35(24-27-40(38)44-41)32-16-8-3-9-17-32;1-2/h1-4,6-12,14-17,19-29,34H,5,13,18H2;2H2,1H3.
What are the key properties of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine?
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine has a molecular weight of 598.79 g/mol, XLogP of 11.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine is sourced from PubChem (CID 142352999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).